Geometry & MOs

Info

ID:	122892
PubChem CID:	50825659
Reduced:	FSO3N5C23H24 (1)
Stoich.:	ABC3D5E23F24 (1)
Weight, g/mol:	492.210759
ΔH_f, kcal/mol:	-59.52
Dipole, Da:	5.41
IP(EA), eV:	-9.2(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(2-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C(S2)NC(=O)CN3CCN(CC3)C(=O)COC4=CC=CC=C4F

DOS

IR

Vibrations